Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | IGF1R | P08069 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.32 |
| ▸ | TOP2A | P11388 | 1/20 | 0.32 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.31 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.31 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3942497 | 0.83 | IGF1R (0.50) | KDM4EIGF1RMAPK1ALDH1A1HTT | |
| SCHEMBL17492679 | 0.81 | AURKA (0.44) | MAPTDHODHMAPK1ALDH1A1HTT | |
| SCHEMBL3945332 | 0.81 | PIK3CA (0.32) | KDM4EMAPTPIK3CACCR1CCR5 | |
| SCHEMBL3949566 | 0.80 | DHODH (0.50) | KDM4EIGF1RDHODHALDH1A1 | |
| SCHEMBL4414071 | 0.78 | MAPT (0.43) | KDM4EMAPTIGF1RMAPK1ALDH1A1 | |
| SCHEMBL3940864 | 0.78 | MAPT (0.41) | MAPTALDH1A1 | |
| SCHEMBL18858405 | 0.77 | DHODH (0.48) | DHODH | |
| SCHEMBL3949861 | 0.77 | CYP2A6 (0.39) | KDM4EMAPTIGF1RALDH1A1RAPGEF4 | |
| SCHEMBL4417849 | 0.76 | NPC1 (0.49) | KDM4EMAPTALDH1A1HTT | |
| SCHEMBL3940988 | 0.72 | ALDH1A1 (0.50) | MAPTIGF1RALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2049535-A1 | ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008016184-A1 | ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-02-07 | — | — | WO | disclosed |